SCHEMBL8059397

SCHEMBL8059397

CN(C)CCc1ccc(Oc2ccc(C(=O)NC(=N)N)cc2S(C)(=O)=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
F10 P00742 3/20 0.37
PRSS1 P07477 2/20 0.37
PRSS2 P07478 2/20 0.37
PRSS3 P35030 2/20 0.37
TSHR P16473 1/20 0.37
BMP1 P13497 1/20 0.36
POLB P06746 1/20 0.36
PKM P14618 1/20 0.36
LMNA P02545 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8059495 0.99 THRA (0.41) THRATHRBDRD2DRD3HRH3
SCHEMBL8444225 0.92 TSHR (0.40) THRATHRBDRD2DRD3HRH3
SCHEMBL8068477 0.90 DRD2 (0.38) THRATHRBDRD2DRD3HRH3
SCHEMBL8059472 0.89 TSHR (0.39) F10PRSS1PRSS2PRSS3TSHR
SCHEMBL8447150 0.89 DRD2 (0.39) THRATHRBDRD2DRD3HRH3
Hydrochloric Acid SCHEMBL8375664 0.88 TSHR (0.38) F10PRSS1PRSS2PRSS3TSHR
Hydrochloric Acid SCHEMBL8070358 0.88 THRA (0.39) THRATHRBDRD2DRD3HRH3
Hydrochloric Acid SCHEMBL8070535 0.88 DRD2 (0.39) THRATHRBDRD2DRD3HRH3
Hydrochloric Acid SCHEMBL8073480 0.88 DRD2 (0.38) THRATHRBDRD2DRD3HRH3
SCHEMBL8068683 0.86 SMN1; SMN2 (0.41) SLC6A2SLC6A4F10TSHRLMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6057322-A USEFUL IN TREATMENT OF CARDIOVASCULAR DISEASES HOECHST AKTIENGESELLSCHAFT (DE) 2000-05-02 US disclosed
EP-0723956-B1 Basically substituted benzoylguanidines, process for their preparation, their use as medicaments or diagnostics as well as medicaments containing them HOECHST AG (DE) 1999-10-13 EP disclosed
EP-0723956-A1 Basically substituted benzoylguanidines, process for their preparation, their use as medicaments or diagnostics as well as medicaments containing them HOECHST AKTIENGESELLSCHAFT (DE) 1996-07-31 EP disclosed